N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride

C20H27ClN4O2 — CID 154900380

IUPACN-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride
SMILESCN(CCn1ccc2ccccc21)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)N2.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-22(10-11-23-9-8-15-4-2-3-5-18(15)23)20(26)14-24-13-17-7-6-16(21-17)12-19(24)25;/h2-5,8-9,16-17,21H,6-7,10-14H2,1H3;1H/t16-,17+;/m1./s1
InChIKeyIUNYIIXCRLRHPE-PPPUBMIESA-N
MW390.92 g/mol
LogP1.87
Rot. Bonds5

About N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride

N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride (PubChem CID 154900380) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride
PubChem CID154900380
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC NameN-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride
SMILESCN(CCn1ccc2ccccc21)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)N2.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-22(10-11-23-9-8-15-4-2-3-5-18(15)23)20(26)14-24-13-17-7-6-16(21-17)12-19(24)25;/h2-5,8-9,16-17,21H,6-7,10-14H2,1H3;1H/t16-,17+;/m1./s1
InChIKeyIUNYIIXCRLRHPE-PPPUBMIESA-N
XLogP1.87
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride (CID 154900380) is N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride is CN(CCn1ccc2ccccc21)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)N2.Cl.
What is the InChIKey of N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride?
The InChIKey is IUNYIIXCRLRHPE-PPPUBMIESA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c1-22(10-11-23-9-8-15-4-2-3-5-18(15)23)20(26)14-24-13-17-7-6-16(21-17)12-19(24)25;/h2-5,8-9,16-17,21H,6-7,10-14H2,1H3;1H/t16-,17+;/m1./s1.
What are the key properties of N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride?
N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 154900380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).